2-(3,4-Dimethoxyphenyl)ethyl acetate
TL;DR: 2-(3,4-Dimethoxyphenyl)ethyl acetate (CAS 14617-41-5) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)ethyl acetate
Also Known As: 3,4-Dimethoxyphenethyl acetate, 2-(3,4-Dimethoxyphenyl)ethyl acetate, 3,4-Dimethoxyphenethylacetate, Benzeneethanol,-3,4-dimethoxy, acetate, 2-(3,4-Dimethoxyphenyl)ethyl acetate #
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 14617-41-5 |
|---|---|
| SMILES | CC(=O)OCCC1=CC(=C(C=C1)OC)OC |
| InChIKey | LBERRQIUXJLZNB-UHFFFAOYSA-N |
Product Overview
2-(3,4-Dimethoxyphenyl)ethyl acetate (CAS 14617-41-5), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)ethyl acetate.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)ethyl acetate
Property Insights of 2-(3,4-Dimethoxyphenyl)ethyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethoxyphenyl)ethyl acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 2-(3,4-Dimethoxyphenyl)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)ethyl acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,4-Dimethoxyphenyl)ethyl acetate?
The CAS number of 2-(3,4-Dimethoxyphenyl)ethyl acetate is 14617-41-5.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)ethyl acetate?
The molecular formula of 2-(3,4-Dimethoxyphenyl)ethyl acetate is C12H16O4.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)ethyl acetate?
The molecular weight of 2-(3,4-Dimethoxyphenyl)ethyl acetate is 224.10 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)ethyl acetate?
You can request a quote for 2-(3,4-Dimethoxyphenyl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethoxyphenyl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.